1630-0886 Screening compound: cyclopentyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-0886 Screening compound: cyclopentyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-0886 Screening compound: cyclopentyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0886
cyclopentyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1630-0886

Molecular Formula

C26H33NO5 (C26 H33 NO5)

Compound Name

cyclopentyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclopentyl 4-(24-dimethoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(ccc(OC)c3)c3OC)C(OC3CCCC3)=O)=C2C1=O

InChI

InChI=1S/C26H33NO5/c1-15-22(25(29)32-16-8-6-7-9-16)23(18-11-10-17(30-4)12-21(18)31-5)24-19(27-15)13-26(2,3)14-20(24)28/h10-12,16,23,27H,6-9,13-14H2,1-5H3/t23-/m0/s1

InChI Key

KRPIXTIYOPISTG-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00619524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.755

Distribution Coefficient, logD

0.468

Water Solubility, LogSw

-4.69

Polar Surface Area

59.545

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

1630-0886 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1630-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0886?
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What is the minimum amount of 1630-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0886
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1630-0886 available by request